9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

C77H78N4OPt-2 — CID 162449036

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162449036) has the molecular formula C77H78N4OPt-2 and a molecular weight of 1270.58 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162449036
• Molecular Formula: C77H78N4OPt-2
• Molecular Weight: 1270.58 g/mol
• Exact Mass: 1269.58
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)c(C(C)(C)c3ccccc3)c2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C77H78N4O.Pt/c1-72(2,3)57-40-41-78-69(48-57)81-67-39-36-58(75(10,11)54-30-22-17-23-31-54)47-66(67)65-38-37-63(50-68(65)81)82-64-43-53(52-28-20-16-21-29-52)42-61(49-64)79-51-80(62-45-59(73(4,5)6)44-60(46-62)74(7,8)9)71(77(14,15)56-34-26-19-27-35-56)70(79)76(12,13)55-32-24-18-25-33-55;/h16-48H,1-15H3;/q-2
• InChIKey: XEQXRTAGIFNZOV-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1270.58
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162449036) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4)c3)c(C(C)(C)c3ccccc3)c2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is XEQXRTAGIFNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H78N4O.Pt/c1-72(2,3)57-40-41-78-69(48-57)81-67-39-36-58(75(10,11)54-30-22-17-23-31-54)47-66(67)65-38-37-63(50-68(65)81)82-64-43-53(52-28-20-16-21-29-52)42-61(49-64)79-51-80(62-45-59(73(4,5)6)44-60(46-62)74(7,8)9)71(77(14,15)56-34-26-19-27-35-56)70(79)76(12,13)55-32-24-18-25-33-55;/h16-48H,1-15H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1270.58 g/mol, XLogP of 18.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).